4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide

C14H22N2O2 — CID 115150584

IUPAC4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCC(N)CC2)o1
InChIInChI=1S/C14H22N2O2/c1-10-2-7-13(18-10)8-9-16-14(17)11-3-5-12(15)6-4-11/h2,7,11-12H,3-6,8-9,15H2,1H3,(H,16,17)
InChIKeyCXADGMOOXOQPSC-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.76
Rot. Bonds4

About 4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide

4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 115150584) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID115150584
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCC(N)CC2)o1
InChIInChI=1S/C14H22N2O2/c1-10-2-7-13(18-10)8-9-16-14(17)11-3-5-12(15)6-4-11/h2,7,11-12H,3-6,8-9,15H2,1H3,(H,16,17)
InChIKeyCXADGMOOXOQPSC-UHFFFAOYSA-N
XLogP1.76
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115150582
4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide
CID 138057699
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 103796117
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 70985799
1-(hydroxymethyl)-N-[2-(5-methylfuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 115182418
4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide
CID 70974496
4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
CID 81433162
N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508
3-amino-N-[2-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119760925
2-amino-4-[2-(5-methylfuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 115181165
methyl 2-[2-(5-methylfuran-2-yl)ethylcarbamoyl]butanoate
CID 115187971

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide (CID 115150584) is 4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide is Cc1ccc(CCNC(=O)C2CCC(N)CC2)o1.
What is the InChIKey of 4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is CXADGMOOXOQPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-2-7-13(18-10)8-9-16-14(17)11-3-5-12(15)6-4-11/h2,7,11-12H,3-6,8-9,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide?
4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115150584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).